(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide

C19H16N2O2S — CID 25492097

IUPAC(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1csc(N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2)n1
InChIInChI=1S/C19H16N2O2S/c1-13-12-24-19(20-13)21(15-8-3-2-4-9-15)18(22)17-11-14-7-5-6-10-16(14)23-17/h2-10,12,17H,11H2,1H3/t17-/m0/s1
InChIKeyLBUCLMFXFCZERI-KRWDZBQOSA-N
MW336.42 g/mol
LogP4.12
Rot. Bonds3

About (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 25492097) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID25492097
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1csc(N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2)n1
InChIInChI=1S/C19H16N2O2S/c1-13-12-24-19(20-13)21(15-8-3-2-4-9-15)18(22)17-11-14-7-5-6-10-16(14)23-17/h2-10,12,17H,11H2,1H3/t17-/m0/s1
InChIKeyLBUCLMFXFCZERI-KRWDZBQOSA-N
XLogP4.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
CID 78778238
3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60529744
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
CID 43032454
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 55611555
(2S)-2-[N-(2,3-dihydro-1-benzofuran-2-carbonyl)anilino]propanoic acid
CID 70369471
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 26176459
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26706020
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-propanoylpiperidine-3-carboxamide
CID 60529728

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 25492097) is (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1csc(N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc2)n1.
What is the InChIKey of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LBUCLMFXFCZERI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-13-12-24-19(20-13)21(15-8-3-2-4-9-15)18(22)17-11-14-7-5-6-10-16(14)23-17/h2-10,12,17H,11H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25492097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).